Geometry & MOs

Info

ID:

419314

PubChem CID:

135107968

Reduced:

FN2O2C21H25 (1)

Stoich.:

AB2C2D21E25 (1)

Weight, g/mol:

818.411546

ΔHf, kcal/mol:

-91.92

Dipole, Da:

7.18

IP(EA), eV:

 -9.04(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(5R,8S,11S,14R,17S)-5-(1H-indol-3-ylmethyl)-11-[(4-methoxyphenyl)methyl]-14-methyl-8-(2-methylpropyl)-3,6,9,12,15-pentaoxo-17-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-1-carbonyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCN(C2)C(=O)CN(C)CC3=CC=C(C=C3)F)O

DOS

IR

Vibrations